UCSF

ZINC19794585

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 5.01 -119.93 1 8 -2 130 395.367 7
Lo Low (pH 4.5-6) 1.23 4.18 -59.41 2 8 -1 127 396.375 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )